UCSF

ZINC95080236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 12 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 -0.02 -48.47 3 4 1 65 163.204 0
Hi High (pH 8-9.5) 1.24 -0.36 -7.67 2 4 0 64 162.196 0
Mid Mid (pH 6-8) 1.24 0.37 -98.72 4 4 2 67 164.212 0

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.